2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine

C6H6ClFN2O — CID 58252332

IUPAC2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine
SMILESCOc1nc(Cl)nc(C)c1F
InChIInChI=1S/C6H6ClFN2O/c1-3-4(8)5(11-2)10-6(7)9-3/h1-2H3
InChIKeyRWISDMQZKZXBIK-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.59
Rot. Bonds1

About 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine

2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine (PubChem CID 58252332) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine
PubChem CID58252332
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine
SMILESCOc1nc(Cl)nc(C)c1F
InChIInChI=1S/C6H6ClFN2O/c1-3-4(8)5(11-2)10-6(7)9-3/h1-2H3
InChIKeyRWISDMQZKZXBIK-UHFFFAOYSA-N
XLogP1.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine (CID 58252332) is 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine is COc1nc(Cl)nc(C)c1F.
What is the InChIKey of 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine?
The InChIKey is RWISDMQZKZXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c1-3-4(8)5(11-2)10-6(7)9-3/h1-2H3.
What are the key properties of 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine?
2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine has a molecular weight of 176.58 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine is sourced from PubChem (CID 58252332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).